NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
511371 |
2ld9   |
15410 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ld9
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 137
_Distance_constraint_stats_list.Viol_count 204
_Distance_constraint_stats_list.Viol_total 100.984
_Distance_constraint_stats_list.Viol_max 0.100
_Distance_constraint_stats_list.Viol_rms 0.0084
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0018
_Distance_constraint_stats_list.Viol_average_violations_only 0.0248
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 GLN 0.032 0.032 15 0 "[ . 1 . 2]"
1 4 ILE 0.574 0.085 15 0 "[ . 1 . 2]"
1 5 PHE 0.103 0.030 14 0 "[ . 1 . 2]"
1 6 VAL 0.088 0.037 17 0 "[ . 1 . 2]"
1 7 LYS 0.932 0.067 4 0 "[ . 1 . 2]"
1 8 THR 0.235 0.033 9 0 "[ . 1 . 2]"
1 9 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ILE 0.398 0.037 11 0 "[ . 1 . 2]"
1 15 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 LEU 0.103 0.030 14 0 "[ . 1 . 2]"
1 17 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 GLU 0.606 0.068 4 0 "[ . 1 . 2]"
1 21 SER 0.606 0.068 4 0 "[ . 1 . 2]"
1 22 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 THR 0.484 0.053 20 0 "[ . 1 . 2]"
1 24 ILE 0.019 0.019 4 0 "[ . 1 . 2]"
1 26 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 VAL 0.019 0.013 5 0 "[ . 1 . 2]"
1 28 LYS 0.126 0.048 12 0 "[ . 1 . 2]"
1 29 ALA 0.167 0.075 6 0 "[ . 1 . 2]"
1 30 LYS 0.006 0.003 1 0 "[ . 1 . 2]"
1 31 ILE 0.285 0.048 12 0 "[ . 1 . 2]"
1 32 GLN 0.154 0.075 6 0 "[ . 1 . 2]"
1 33 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 LYS 0.159 0.048 11 0 "[ . 1 . 2]"
1 35 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 GLN 0.090 0.034 16 0 "[ . 1 . 2]"
1 43 ARG 0.160 0.070 9 0 "[ . 1 . 2]"
1 44 LEU 0.226 0.072 17 0 "[ . 1 . 2]"
1 45 ILE 0.025 0.021 18 0 "[ . 1 . 2]"
1 46 PHE 0.208 0.100 17 0 "[ . 1 . 2]"
1 47 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 GLY 0.465 0.073 18 0 "[ . 1 . 2]"
1 49 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 GLN 0.465 0.073 18 0 "[ . 1 . 2]"
1 51 LEU 0.226 0.072 17 0 "[ . 1 . 2]"
1 52 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 ARG 0.019 0.019 4 0 "[ . 1 . 2]"
1 56 THR 0.221 0.069 1 0 "[ . 1 . 2]"
1 57 LEU 0.484 0.053 20 0 "[ . 1 . 2]"
1 58 SER 0.221 0.069 1 0 "[ . 1 . 2]"
1 59 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 GLU 0.032 0.032 15 0 "[ . 1 . 2]"
1 66 SER 0.574 0.085 15 0 "[ . 1 . 2]"
1 67 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 LEU 0.301 0.042 7 0 "[ . 1 . 2]"
1 69 HIS 1.048 0.100 17 0 "[ . 1 . 2]"
1 70 LEU 0.167 0.033 9 0 "[ . 1 . 2]"
1 71 VAL 0.070 0.070 9 0 "[ . 1 . 2]"
1 72 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 GLN H 1 4 ILE H . . 5.000 4.540 4.389 4.613 . 0 0 "[ . 1 . 2]" 1
2 1 3 GLN H 1 65 GLU H . . 5.500 4.766 4.300 5.532 0.032 15 0 "[ . 1 . 2]" 1
3 1 4 ILE H 1 5 PHE H . . 5.000 4.473 4.426 4.499 . 0 0 "[ . 1 . 2]" 1
4 1 4 ILE H 1 16 LEU H . . 5.000 3.390 2.953 4.319 . 0 0 "[ . 1 . 2]" 1
5 1 4 ILE H 1 17 GLU H . . 6.000 5.000 4.600 5.396 . 0 0 "[ . 1 . 2]" 1
6 1 4 ILE H 1 18 VAL H . . 5.000 4.395 3.513 5.000 . 0 0 "[ . 1 . 2]" 1
7 1 4 ILE H 1 65 GLU H . . 5.800 5.236 4.931 5.715 . 0 0 "[ . 1 . 2]" 1
8 1 4 ILE H 1 66 SER H . . 6.100 6.089 5.840 6.185 0.085 15 0 "[ . 1 . 2]" 1
9 1 5 PHE H 1 6 VAL H . . 5.000 4.357 4.261 4.465 . 0 0 "[ . 1 . 2]" 1
10 1 5 PHE H 1 16 LEU H . . 5.000 4.968 4.821 5.030 0.030 14 0 "[ . 1 . 2]" 1
11 1 5 PHE H 1 66 SER H . . 5.000 3.891 3.487 4.556 . 0 0 "[ . 1 . 2]" 1
12 1 5 PHE H 1 67 THR H . . 6.000 5.397 5.195 5.602 . 0 0 "[ . 1 . 2]" 1
13 1 5 PHE H 1 68 LEU H . . 5.000 4.802 4.234 5.000 . 0 0 "[ . 1 . 2]" 1
14 1 6 VAL H 1 7 LYS H . . 5.000 4.393 4.309 4.479 . 0 0 "[ . 1 . 2]" 1
15 1 6 VAL H 1 14 ILE H . . 5.000 3.300 2.818 3.824 . 0 0 "[ . 1 . 2]" 1
16 1 6 VAL H 1 68 LEU H . . 5.000 4.928 4.705 5.037 0.037 17 0 "[ . 1 . 2]" 1
17 1 7 LYS H 1 8 THR H . . 5.000 4.515 4.437 4.552 . 0 0 "[ . 1 . 2]" 1
18 1 7 LYS H 1 14 ILE H . . 5.000 5.011 4.907 5.037 0.037 11 0 "[ . 1 . 2]" 1
19 1 7 LYS H 1 68 LEU H . . 5.000 3.066 2.696 3.527 . 0 0 "[ . 1 . 2]" 1
20 1 7 LYS H 1 69 HIS H . . 5.000 5.021 4.830 5.067 0.067 4 0 "[ . 1 . 2]" 1
21 1 7 LYS H 1 70 LEU H . . 5.000 4.598 3.823 4.994 . 0 0 "[ . 1 . 2]" 1
22 1 8 THR H 1 9 LEU H . . 5.000 4.480 4.378 4.533 . 0 0 "[ . 1 . 2]" 1
23 1 8 THR H 1 11 GLY H . . 5.000 4.285 3.799 4.577 . 0 0 "[ . 1 . 2]" 1
24 1 8 THR H 1 12 LYS H . . 5.000 3.520 3.154 3.954 . 0 0 "[ . 1 . 2]" 1
25 1 8 THR H 1 14 ILE H . . 5.000 4.778 4.310 5.027 0.027 14 0 "[ . 1 . 2]" 1
26 1 8 THR H 1 70 LEU H . . 5.000 4.970 4.846 5.033 0.033 9 0 "[ . 1 . 2]" 1
27 1 9 LEU H 1 10 THR H . . 5.000 2.491 2.230 2.620 . 0 0 "[ . 1 . 2]" 1
28 1 9 LEU H 1 11 GLY H . . 5.000 4.326 3.915 4.582 . 0 0 "[ . 1 . 2]" 1
29 1 10 THR H 1 11 GLY H . . 5.000 2.403 2.089 2.647 . 0 0 "[ . 1 . 2]" 1
30 1 10 THR H 1 12 LYS H . . 5.000 3.132 2.932 3.411 . 0 0 "[ . 1 . 2]" 1
31 1 11 GLY H 1 12 LYS H . . 5.000 2.507 2.289 2.689 . 0 0 "[ . 1 . 2]" 1
32 1 12 LYS H 1 13 THR H . . 5.000 4.511 4.430 4.550 . 0 0 "[ . 1 . 2]" 1
33 1 13 THR H 1 14 ILE H . . 5.000 4.370 4.334 4.422 . 0 0 "[ . 1 . 2]" 1
34 1 14 ILE H 1 15 THR H . . 5.000 4.467 4.430 4.490 . 0 0 "[ . 1 . 2]" 1
35 1 15 THR H 1 16 LEU H . . 5.000 4.461 4.428 4.485 . 0 0 "[ . 1 . 2]" 1
36 1 16 LEU H 1 17 GLU H . . 5.000 4.414 4.404 4.430 . 0 0 "[ . 1 . 2]" 1
37 1 17 GLU H 1 18 VAL H . . 5.000 4.384 4.378 4.395 . 0 0 "[ . 1 . 2]" 1
38 1 18 VAL H 1 19 GLU H . . 5.000 4.386 4.360 4.423 . 0 0 "[ . 1 . 2]" 1
39 1 19 GLU H 1 21 SER H . . 5.000 5.030 5.002 5.068 0.068 4 0 "[ . 1 . 2]" 1
40 1 19 GLU H 1 22 ASP H . . 5.000 3.948 3.852 4.075 . 0 0 "[ . 1 . 2]" 1
41 1 21 SER H 1 22 ASP H . . 5.000 2.495 2.461 2.538 . 0 0 "[ . 1 . 2]" 1
42 1 22 ASP H 1 23 THR H . . 5.000 4.561 4.525 4.600 . 0 0 "[ . 1 . 2]" 1
43 1 22 ASP H 1 57 LEU H . . 5.500 4.568 4.141 5.020 . 0 0 "[ . 1 . 2]" 1
44 1 22 ASP H 1 58 SER H . . 6.000 4.619 4.356 4.962 . 0 0 "[ . 1 . 2]" 1
45 1 23 THR H 1 24 ILE H . . 5.000 4.544 4.536 4.550 . 0 0 "[ . 1 . 2]" 1
46 1 23 THR H 1 57 LEU H . . 5.000 5.011 4.829 5.053 0.053 20 0 "[ . 1 . 2]" 1
47 1 24 ILE H 1 26 ASN H . . 5.000 4.278 3.973 4.567 . 0 0 "[ . 1 . 2]" 1
48 1 24 ILE H 1 55 ARG H . . 5.000 4.831 4.602 5.019 0.019 4 0 "[ . 1 . 2]" 1
49 1 24 ILE H 1 57 LEU H . . 6.000 4.174 3.700 4.662 . 0 0 "[ . 1 . 2]" 1
50 1 26 ASN H 1 27 VAL H . . 5.000 2.495 2.320 2.677 . 0 0 "[ . 1 . 2]" 1
51 1 26 ASN H 1 28 LYS H . . 5.000 4.070 3.851 4.509 . 0 0 "[ . 1 . 2]" 1
52 1 27 VAL H 1 28 LYS H . . 3.000 2.601 2.411 2.859 . 0 0 "[ . 1 . 2]" 1
53 1 27 VAL H 1 29 ALA H . . 4.500 4.197 3.765 4.513 0.013 5 0 "[ . 1 . 2]" 1
54 1 27 VAL H 1 30 LYS H . . 5.300 5.090 4.707 5.303 0.003 1 0 "[ . 1 . 2]" 1
55 1 28 LYS H 1 29 ALA H . . 3.500 2.688 2.444 2.856 . 0 0 "[ . 1 . 2]" 1
56 1 28 LYS H 1 30 LYS H . . 4.500 4.203 4.069 4.277 . 0 0 "[ . 1 . 2]" 1
57 1 28 LYS H 1 31 ILE H . . 5.000 4.973 4.892 5.048 0.048 12 0 "[ . 1 . 2]" 1
58 1 29 ALA H 1 30 LYS H . . 3.500 2.690 2.592 2.724 . 0 0 "[ . 1 . 2]" 1
59 1 29 ALA H 1 31 ILE H . . 4.500 4.176 4.072 4.303 . 0 0 "[ . 1 . 2]" 1
60 1 29 ALA H 1 32 GLN H . . 5.000 4.919 4.682 5.075 0.075 6 0 "[ . 1 . 2]" 1
61 1 30 LYS H 1 31 ILE H . . 3.500 2.608 2.512 2.727 . 0 0 "[ . 1 . 2]" 1
62 1 30 LYS H 1 32 GLN H . . 4.500 4.154 3.968 4.224 . 0 0 "[ . 1 . 2]" 1
63 1 30 LYS H 1 33 ASP H . . 5.000 4.839 4.667 4.974 . 0 0 "[ . 1 . 2]" 1
64 1 31 ILE H 1 32 GLN H . . 3.500 2.604 2.559 2.649 . 0 0 "[ . 1 . 2]" 1
65 1 31 ILE H 1 33 ASP H . . 4.500 4.000 3.904 4.214 . 0 0 "[ . 1 . 2]" 1
66 1 31 ILE H 1 34 LYS H . . 5.000 4.988 4.914 5.048 0.048 11 0 "[ . 1 . 2]" 1
67 1 32 GLN H 1 33 ASP H . . 3.500 2.563 2.511 2.627 . 0 0 "[ . 1 . 2]" 1
68 1 32 GLN H 1 36 GLY H . . 5.000 4.257 4.230 4.305 . 0 0 "[ . 1 . 2]" 1
69 1 33 ASP H 1 34 LYS H . . 3.500 2.491 2.438 2.554 . 0 0 "[ . 1 . 2]" 1
70 1 33 ASP H 1 35 GLU H . . 4.500 4.164 4.023 4.306 . 0 0 "[ . 1 . 2]" 1
71 1 33 ASP H 1 36 GLY H . . 5.000 4.238 4.164 4.342 . 0 0 "[ . 1 . 2]" 1
72 1 34 LYS H 1 35 GLU H . . 3.500 2.107 2.023 2.174 . 0 0 "[ . 1 . 2]" 1
73 1 34 LYS H 1 36 GLY H . . 5.000 3.164 3.134 3.191 . 0 0 "[ . 1 . 2]" 1
74 1 35 GLU H 1 36 GLY H . . 5.000 1.887 1.866 1.898 . 0 0 "[ . 1 . 2]" 1
75 1 35 GLU H 1 37 ILE H . . 5.000 3.809 3.686 3.875 . 0 0 "[ . 1 . 2]" 1
76 1 36 GLY H 1 37 ILE H . . 4.000 2.366 2.227 2.465 . 0 0 "[ . 1 . 2]" 1
77 1 40 ASP H 1 41 GLN H . . 3.500 2.487 2.270 2.637 . 0 0 "[ . 1 . 2]" 1
78 1 40 ASP H 1 42 GLN H . . 4.500 3.767 3.413 4.066 . 0 0 "[ . 1 . 2]" 1
79 1 41 GLN H 1 42 GLN H . . 5.000 2.107 1.882 2.220 . 0 0 "[ . 1 . 2]" 1
80 1 42 GLN H 1 43 ARG H . . 4.500 4.463 4.377 4.534 0.034 16 0 "[ . 1 . 2]" 1
81 1 43 ARG H 1 44 LEU H . . 4.500 4.208 3.986 4.327 . 0 0 "[ . 1 . 2]" 1
82 1 43 ARG H 1 71 VAL H . . 5.000 4.268 3.059 5.070 0.070 9 0 "[ . 1 . 2]" 1
83 1 44 LEU H 1 45 ILE H . . 5.000 4.503 4.421 4.542 . 0 0 "[ . 1 . 2]" 1
84 1 44 LEU H 1 51 LEU H . . 5.000 4.777 4.349 5.072 0.072 17 0 "[ . 1 . 2]" 1
85 1 45 ILE H 1 46 PHE H . . 4.500 4.366 4.309 4.457 . 0 0 "[ . 1 . 2]" 1
86 1 45 ILE H 1 51 LEU H . . 6.000 4.927 4.463 5.775 . 0 0 "[ . 1 . 2]" 1
87 1 45 ILE H 1 69 HIS H . . 5.000 4.052 2.887 5.021 0.021 18 0 "[ . 1 . 2]" 1
88 1 45 ILE H 1 71 VAL H . . 6.000 4.961 3.962 5.488 . 0 0 "[ . 1 . 2]" 1
89 1 46 PHE H 1 47 ALA H . . 5.000 4.208 4.131 4.285 . 0 0 "[ . 1 . 2]" 1
90 1 46 PHE H 1 48 GLY H . . 5.000 3.704 3.569 3.896 . 0 0 "[ . 1 . 2]" 1
91 1 46 PHE H 1 49 LYS H . . 5.000 3.311 3.124 3.482 . 0 0 "[ . 1 . 2]" 1
92 1 46 PHE H 1 50 GLN H . . 6.000 5.148 4.930 5.448 . 0 0 "[ . 1 . 2]" 1
93 1 46 PHE H 1 51 LEU H . . 6.000 3.941 3.525 4.448 . 0 0 "[ . 1 . 2]" 1
94 1 46 PHE H 1 69 HIS H . . 5.500 5.422 5.066 5.600 0.100 17 0 "[ . 1 . 2]" 1
95 1 47 ALA H 1 48 GLY H . . 4.000 2.610 2.579 2.665 . 0 0 "[ . 1 . 2]" 1
96 1 47 ALA H 1 49 LYS H . . 5.000 4.232 4.154 4.304 . 0 0 "[ . 1 . 2]" 1
97 1 48 GLY H 1 49 LYS H . . 5.000 2.599 2.536 2.634 . 0 0 "[ . 1 . 2]" 1
98 1 48 GLY H 1 50 GLN H . . 6.500 6.523 6.498 6.573 0.073 18 0 "[ . 1 . 2]" 1
99 1 49 LYS H 1 50 GLN H . . 5.000 4.450 4.438 4.464 . 0 0 "[ . 1 . 2]" 1
100 1 50 GLN H 1 51 LEU H . . 5.000 4.486 4.421 4.546 . 0 0 "[ . 1 . 2]" 1
101 1 51 LEU H 1 52 GLU H . . 5.000 4.476 4.343 4.558 . 0 0 "[ . 1 . 2]" 1
102 1 52 GLU H 1 53 ASP H . . 5.000 4.564 4.533 4.578 . 0 0 "[ . 1 . 2]" 1
103 1 52 GLU H 1 55 ARG H . . 6.000 4.433 4.264 4.673 . 0 0 "[ . 1 . 2]" 1
104 1 55 ARG H 1 56 THR H . . 5.000 4.547 4.535 4.567 . 0 0 "[ . 1 . 2]" 1
105 1 56 THR H 1 57 LEU H . . 5.000 4.524 4.501 4.556 . 0 0 "[ . 1 . 2]" 1
106 1 56 THR H 1 58 SER H . . 5.500 5.490 5.361 5.569 0.069 1 0 "[ . 1 . 2]" 1
107 1 56 THR H 1 59 ASP H . . 5.000 3.825 3.715 4.062 . 0 0 "[ . 1 . 2]" 1
108 1 56 THR H 1 60 TYR H . . 6.500 4.626 4.176 5.045 . 0 0 "[ . 1 . 2]" 1
109 1 57 LEU H 1 58 SER H . . 3.500 2.833 2.739 2.915 . 0 0 "[ . 1 . 2]" 1
110 1 57 LEU H 1 59 ASP H . . 5.000 4.019 3.864 4.246 . 0 0 "[ . 1 . 2]" 1
111 1 57 LEU H 1 60 TYR H . . 6.000 4.940 4.793 5.076 . 0 0 "[ . 1 . 2]" 1
112 1 58 SER H 1 59 ASP H . . 3.500 2.687 2.522 2.838 . 0 0 "[ . 1 . 2]" 1
113 1 58 SER H 1 60 TYR H . . 5.000 4.141 4.058 4.281 . 0 0 "[ . 1 . 2]" 1
114 1 58 SER H 1 61 ASN H . . 5.500 5.123 4.974 5.308 . 0 0 "[ . 1 . 2]" 1
115 1 58 SER H 1 62 ILE H . . 6.000 5.472 4.746 5.962 . 0 0 "[ . 1 . 2]" 1
116 1 59 ASP H 1 60 TYR H . . 3.500 2.613 2.571 2.675 . 0 0 "[ . 1 . 2]" 1
117 1 59 ASP H 1 61 ASN H . . 5.000 3.974 3.881 4.055 . 0 0 "[ . 1 . 2]" 1
118 1 59 ASP H 1 62 ILE H . . 6.500 5.534 5.052 5.973 . 0 0 "[ . 1 . 2]" 1
119 1 60 TYR H 1 61 ASN H . . 3.500 2.451 2.373 2.544 . 0 0 "[ . 1 . 2]" 1
120 1 60 TYR H 1 62 ILE H . . 5.000 3.815 3.547 4.144 . 0 0 "[ . 1 . 2]" 1
121 1 61 ASN H 1 62 ILE H . . 3.500 2.705 2.586 2.817 . 0 0 "[ . 1 . 2]" 1
122 1 62 ILE H 1 63 GLN H . . 5.000 4.334 4.192 4.543 . 0 0 "[ . 1 . 2]" 1
123 1 63 GLN H 1 64 LYS H . . 5.000 4.538 4.345 4.623 . 0 0 "[ . 1 . 2]" 1
124 1 64 LYS H 1 65 GLU H . . 5.000 4.609 4.605 4.633 . 0 0 "[ . 1 . 2]" 1
125 1 64 LYS H 1 66 SER H . . 5.500 5.176 4.975 5.429 . 0 0 "[ . 1 . 2]" 1
126 1 65 GLU H 1 66 SER H . . 3.500 2.433 2.384 2.494 . 0 0 "[ . 1 . 2]" 1
127 1 66 SER H 1 67 THR H . . 5.000 4.596 4.552 4.623 . 0 0 "[ . 1 . 2]" 1
128 1 67 THR H 1 68 LEU H . . 5.000 4.347 4.225 4.506 . 0 0 "[ . 1 . 2]" 1
129 1 68 LEU H 1 69 HIS H . . 4.500 4.506 4.455 4.542 0.042 7 0 "[ . 1 . 2]" 1
130 1 69 HIS H 1 70 LEU H . . 5.000 4.551 4.493 4.585 . 0 0 "[ . 1 . 2]" 1
131 1 70 LEU H 1 71 VAL H . . 4.500 4.331 3.928 4.453 . 0 0 "[ . 1 . 2]" 1
132 1 71 VAL H 1 72 LEU H . . 5.000 4.563 4.473 4.593 . 0 0 "[ . 1 . 2]" 1
133 1 72 LEU H 1 73 ARG H . . 5.000 4.502 4.466 4.514 . 0 0 "[ . 1 . 2]" 1
134 1 73 ARG H 1 74 LEU H . . 5.000 4.306 3.742 4.396 . 0 0 "[ . 1 . 2]" 1
135 1 74 LEU H 1 75 ARG H . . 5.000 4.577 4.433 4.611 . 0 0 "[ . 1 . 2]" 1
136 1 75 ARG H 1 76 GLY H . . 5.000 4.202 3.878 4.309 . 0 0 "[ . 1 . 2]" 1
137 1 76 GLY H 1 77 GLY H . . 5.000 3.539 3.373 3.680 . 0 0 "[ . 1 . 2]" 1
stop_
save_
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